orbital_charges     :real:2:4,15
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  0.443196468716221E+000  0.574269404935253E+000  0.506578062352249E+000
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  0.915144407329911E+000  0.778017850871254E+000  0.776136796934693E+000
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  0.901408829936274E+000  0.553591269653784E+000  0.671673719609357E+000
  0.556537050571564E+000  0.885145958151408E+000  0.573343596253565E+000
forces              :real:2:3,15
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  0.524231210496900E-001  0.305313717468826E-002 -0.347967828731714E-004
mermin_energy       :real:0:
 -0.263308402052298E+002
end_coords          :real:2:3,15
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  0.225342265234082E+001  0.722120992015664E+000  0.188972598857892E-004
